methyl 4-[[2-oxidanylidene-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)methylamino]ethanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)methylamino]ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-[(1-isopropylpiperidin-1-ium-4-yl)methylamino]-2-oxo-acetyl]amino]benzoate CAS Name: 4-[[1,2-dioxo-2-[(1-propan-2-yl-4-piperidin-1-iumyl)methylamino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-[(1-propan-2-ylpiperidin-1-ium-4-yl)methylamino]acetyl]amino]benzoate Traditional Name: 4-[[2-[(1-isopropylpiperidin-1-ium-4-yl)methylamino]-2-keto-acetyl]amino]benzoic acid methyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H27N3O4/c1-13(2)22-10-8-14(9-11-22)12-20-17(23)18(24)21-16-6-4-15(5-7-16)19(25)26-3/h4-7,13-14H,8-12H2,1-3H3,(H,20,23)(H,21,24)/p+1